SCHEMBL4777292

SCHEMBL4777292

CCOC(=O)c1[nH]c2ccc(C(=O)c3ccc(OC(F)(F)F)cc3)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
CYP1A2 P05177 2/20 0.37
XBP1 P17861 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.37
EPHX2 P34913 3/20 0.37
TP53 P04637 1/20 0.35
PPARG P37231 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
FAAH O00519 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5573980 0.86 MAPT (0.40) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4839135 0.83 MAPT (0.39) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5272473 0.82 MAPT (0.46) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4776998 0.80 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4780471 0.80 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5269908 0.79 ALDH1A1 (0.44) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5266914 0.79 MAPT (0.41) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5270452 0.77 MAPT (0.38) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5574023 0.76 MAPT (0.43) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5571402 0.76 KDM4E (0.43) MAPTALDH1A1HPGDCYP1A2XBP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009924-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-01-24 WO disclosed